COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK789782
Chemical Name: dimethyl2-[6-methoxy-2,2-dimethyl-1-(pyridin-3-ylcarbonyl)-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene]-1,3-dithiole-4,5-dicarboxylate
Smiles: COC(=O)C1=C(S/C(=C\2/c3cc(OC)ccc3N(C(C2=S)(C)C)C(=O)c2cccnc2)/S1)C(=O)OC

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Molecular Weight: 542.66
Empirical Formula: C25H22N2O6S3

Physical State: Dry powder
Available Amount: 257 mg

Lipinsky:
logP: 3.78
Rotatable bonds: 6
H-donors: 0
H-acceptors: 6
PSA: 177
Number of rings: 4

     

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